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compound 0112810

PropertiesImage
MNX_IDMNXM1176078 Image of MNXM1176078
referenceenvipathM:...48ee61b24a11
formulaC37H64O8
global charge0
mol weight636.911
InChIKeyGURLPHRFXBDMQD-UHFFFAOYSA-N
InChIInChI=1S/C37H64O8/c1-2-3-4-16-23-32(40)24-17-10-6-5-7-13-21-28-37(42)44-33(30-39)31-43-36(41)27-20-14-8-11-18-25-34-35(45-34)26-19-12-9-15-22-29-38/h12,16-17,19,23-24,32-35,38-40H,2-11,13-15,18,20-22,25-31H2,1H3
SMILESCCCCC=CC(O)C=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC=CCCCCO
MNX internals
InChI (mnx)InChI=1/C37H64O8/c1-2-3-4-16-23-32(40)24-17-10-6-5-7-13-21-28-37(42)44-33(30-39)31-43-36(41)27-20-14-8-11-18-25-34-35(45-34)26-19-12-9-15-22-29-38/h12,16-17,19,23-24,32-35,38-40H,2-11,13-15,18,20-22,25-31H2,1H3/b19-12?,23-16?,24-17?/t32?,33?,34?,35? Image of MNXM1176078
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH:16]=[CH:23][CH:32]([CH:24]=[CH:17][CH2:10][CH2:6][CH2:5][CH2:7][CH2:13][CH2:21][CH2:28][C:37](=[O:42])[O:44][CH:33]([CH2:30][OH:39])[CH2:31][O:43][C:36]([CH2:27][CH2:20][CH2:14][CH2:8][CH2:11][CH2:18][CH2:25][CH:34]1[CH:35]([CH2:26][CH:19]=[CH:12][CH2:9][CH2:15][CH2:22][CH2:29][OH:38])[O:45]1)=[O:41])[OH:40]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...48ee61b24a11
envipathM:...48ee61b24a11
GURLPHRFXBDMQD-UHFFFAOYSA-N
compound 0112810